Please wait a minute...
Acta Physico-Chimica Sinica  2003, Vol. 19 Issue (05): 460-463    DOI: 10.3866/PKU.WHXB20030517
Note     
QSAR of [99Tcm(NO)Cl(PL)2] Complexes
Zhang Hua-Bei;Li Bo;Dai Mei
Department of Chemistry, Beijing Normal University, Beijing 100875
Download:   PDF(1431KB) Export: BibTeX | EndNote (RIS)      

Abstract  The geometries of fifteen [99Tcm(NO)Cl(PL)2]+ complexes were optimized by semi-empirical quantum mechanics method——ZINDO/1 and many physical and chemical descriptors were obtained. Four equations were obtained by the multiple regressions between these drescriptors and heart intial uptake. New uptake mechanism of redox mechanism was revealed when analyzing these equations.

Key wordsZINDO/1      Heart uptake      Uptake mechanism      Redox      QSAR(quantitive structure-activity relationship)     
Received: 02 September 2002      Published: 15 May 2003
Cite this article:

Zhang Hua-Bei;Li Bo;Dai Mei. QSAR of [99Tcm(NO)Cl(PL)2] Complexes. Acta Physico-Chimica Sinica, 2003, 19(05): 460-463.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB20030517     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2003/V19/I05/460

[1] YAN Hui-Jun, LI Biao, JIANG Ning, XIA Ding-Guo. First-Principles Study:the Structural Stability and Sulfur Anion Redox of Li1-xNiO2-ySy[J]. Acta Physico-Chimica Sinica, 2017, 33(9): 1781-1788.
[2] KONG Wei-Wei, GUO Shuang, ZHANG Yong-Min, LIU Xue-Feng. Redox-Responsive Interfacial Properties of Se-Containing Sulfobetaine Surfactant[J]. Acta Physico-Chimica Sinica, 2017, 33(6): 1205-1213.
[3] WANG Yu-Qiao, WANG Pan-Pan, LU Jing, BAI Yi-Chao, GU Yun-Liang, SUN Yue-Ming. Dye-Sensitized Solar Cells Based on MWCNT/TiO2 Counter Electrode and Thiolate/Disulfide Non-Iodine Redox Couple[J]. Acta Physico-Chimica Sinica, 2015, 31(3): 448-456.
[4] ZHU Chang-Li, WANG Wen-Yong, TIAN Dong-Mei, WANG Jiao, QIU Yong-Qing. Second-Order Nonlinear Optical Properties of Bis-Cyclometalated Iridium(Ⅲ) Isocyanide Complexes[J]. Acta Physico-Chimica Sinica, 2015, 31(2): 245-252.
[5] GUO Li-Mei, KUANG Yuan-Jiang, YANG Xiao-Dan, YU Yan-Long, YAO Jiang-Hong, CAO Ya-An. Photocatalytic Reduction of CO2 into CH4 Using SrB2O4 Catalyst[J]. Acta Physico-Chimica Sinica, 2013, 29(02): 397-402.
[6] CHEN Wen-Long, LIU Hai-Chao. Relationship between the Structures of Metal Oxide Catalysts and Their Properties in Selective Oxidation of Methanol[J]. Acta Physico-Chimica Sinica, 2012, 28(10): 2315-2326.
[7] REN Chun-Yan, LU Hai, JIA Ming, ZHANG Zhi-An, LAI Yan-Qing, LI Jie. Application of 1,2-Dimethoxy-4-nitro-benzene and 1,4-Dimethoxy- 2-nitro-benzene as Overcharge Protection Additives in Lithium-Ion Batteries[J]. Acta Physico-Chimica Sinica, 2012, 28(09): 2091-2096.
[8] SU An-Qun, WANG Nan-Fang, LIU Su-Qin, WU Tao, PENG Sui. Modification of Carbon Paper Electrode via Hydrothermal Oxidation Applied in the Vanadium Redox Battery[J]. Acta Physico-Chimica Sinica, 2012, 28(06): 1387-1392.
[9] HOU Ruo-Bing, SUN Yan-Li, WANG Bei-Bei. One-Electron Redox Characteristics of One-Hydroxyl Radical Adducts of A-T Base Pairs[J]. Acta Physico-Chimica Sinica, 2012, 28(01): 73-77.
[10] LIU Dong-Yang, CHENG Jie, PAN Jun-Qing, WEN Yue-Hua, CAO Gao-Ping, YANG Yu-Sheng. All-Lead Redox Flow Battery in a Fluoroboric Acid Electrolyte[J]. Acta Physico-Chimica Sinica, 2011, 27(11): 2571-2576.
[11] TIAN Ying, WANG Jing-Ri, LIU Ming, SHI Kun, YANG Feng-Lin. Redox Stability of Polypyrrole in Aqueous Electrolyte Solutions by a Recurrent Potential Pulse Technique[J]. Acta Physico-Chimica Sinica, 2011, 27(05): 1116-1121.
[12] LI Min-Jie, LIU Wei-Xia, PENG Chun-Rong, LU Wen-Cong. A First-Principles Method for Predicting Redox Potentials of Nucleobases and the Metabolites in Aqueous Solution[J]. Acta Physico-Chimica Sinica, 2011, 27(03): 595-603.
[13] HAN Nan-Nan, WANG Hui, LI Na, ZHOU Jian-Zhang, LIN Zhong-Hua, WU Di, WAN Guo-Jiang. Electrochemical Behavior of Redox Proteins on ZnO Nanorod-Modified Electrodes Prepared by Electrodeposition[J]. Acta Physico-Chimica Sinica, 2011, 27(02): 468-472.
[14] HU Qiong, WANG Guo-Ying, OU Jia-Ming, WANG Rui-Li. Effect ofWater Ligation on the Redox Potential and Infrared Spectra of Chlorophyll-a[J]. Acta Physico-Chimica Sinica, 2010, 26(11): 3035-3040.
[15] LI Wei-Wei, HOU Ruo-Bing, SUN Yan-Li. Characteristics of One Electron Redox Behavior of Hydrophobic AminoAcids in Gas Phase[J]. Acta Physico-Chimica Sinica, 2010, 26(10): 2772-2778.